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CHEBI:212908 - Nostoweipeptin W7

ChEBI IDCHEBI:212908
ChEBI NameNostoweipeptin W7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H84N10O15
Net Charge0
Average Mass1173.376
Monoisotopic Mass1172.61176
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2C[C@H](C)CN2C(=O)C(NC(=O)[C@H](Cc2ccccc2)NC)COC(=O)[C@@H]2C[C@H](C)CN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C59H84N10O15/c1-8-34(6)49-54(78)62-42(22-36-14-16-37(71)17-15-36)51(75)63-43(29-70)55(79)68-27-38(72)23-46(68)58(82)69-28-39(73)24-47(69)57(81)67-26-33(5)20-48(67)59(83)84-30-44(64-50(74)40(60-7)21-35-12-10-9-11-13-35)56(80)66-25-32(4)19-45(66)53(77)61-41(18-31(2)3)52(76)65-49/h9-17,31-34,38-49,60,70-73H,8,18-30H2,1-7H3,(H,61,77)(H,62,78)(H,63,75)(H,64,74)(H,65,76)/t32-,33-,34-,38+,39+,40-,41+,42-,43?,44?,45-,46-,47-,48-,49-/m0/s1
InChIKeyFTYAKOGTZYSZNO-NEUPUXGDSA-N
Species of MetaboliteComponentSourceComments
Nostoc (ncbitaxon:1177) - PubMed (25203327)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nostoweipeptin W7 (CHEBI:212908) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-N-[(1S,5R,7S,11S,13S,21S,23S,26R,29S,32S,39R)-29-[(2S)-butan-2-yl]-5,39-dihydroxy-35-(hydroxymethyl)-32-[(4-hydroxyphenyl)methyl]-11,21-dimethyl-26-(2-methylpropyl)-2,8,14,18,24,27,30,33,36-nonaoxo-15-oxa-3,9,19,25,28,31,34,37-octazapentacyclo[35.3.0.03,7.09,13.019,23]tetracontan-17-yl]-2-(methylamino)-3-phenylpropanamide